6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine

C15H24N2 — CID 123425964

IUPAC6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
SMILESCN1CCCC2CN(CC3C=CC=CC3)CC21
InChIInChI=1S/C15H24N2/c1-16-9-5-8-14-11-17(12-15(14)16)10-13-6-3-2-4-7-13/h2-4,6,13-15H,5,7-12H2,1H3
InChIKeyLWXJYYLIZNSBAB-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.14
Rot. Bonds2

About 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine

6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine (PubChem CID 123425964) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
PubChem CID123425964
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
SMILESCN1CCCC2CN(CC3C=CC=CC3)CC21
InChIInChI=1S/C15H24N2/c1-16-9-5-8-14-11-17(12-15(14)16)10-13-6-3-2-4-7-13/h2-4,6,13-15H,5,7-12H2,1H3
InChIKeyLWXJYYLIZNSBAB-UHFFFAOYSA-N
XLogP2.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine with MolForge

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Related Compounds

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CID 18641589
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CID 18641595
2-methyl-4-pyrrolidin-1-yl-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline
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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine (CID 123425964) is 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine is CN1CCCC2CN(CC3C=CC=CC3)CC21.
What is the InChIKey of 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
The InChIKey is LWXJYYLIZNSBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-9-5-8-14-11-17(12-15(14)16)10-13-6-3-2-4-7-13/h2-4,6,13-15H,5,7-12H2,1H3.
What are the key properties of 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine?
6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine has a molecular weight of 232.37 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexa-2,4-dien-1-ylmethyl)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 123425964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).